MRS1476
SMILES | CCOC(=O)c1c(nc(c(c1CC)C(=O)SCC)CC)c1ccccc1 |
InChIKey | WYZGZKCWULQWSH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 371.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Rat | Adenosine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.7 | 7.79 | 7.87 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |